methyl N-[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]carbamate

C15H15N3O4 — CID 3713909

IUPACmethyl N-[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]carbamate
SMILESCOC(=O)NN=C(C)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C15H15N3O4/c1-10(17-18-15(20)21-2)11-5-3-6-12(9-11)16-14(19)13-7-4-8-22-13/h3-9H,1-2H3,(H,16,19)(H,18,20)
InChIKeyILLDGNUHWUGYGP-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.61
Rot. Bonds4

About methyl N-[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]carbamate

methyl N-[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]carbamate (PubChem CID 3713909) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is methyl N-[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]carbamate
PubChem CID3713909
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Namemethyl N-[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]carbamate
SMILESCOC(=O)NN=C(C)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C15H15N3O4/c1-10(17-18-15(20)21-2)11-5-3-6-12(9-11)16-14(19)13-7-4-8-22-13/h3-9H,1-2H3,(H,16,19)(H,18,20)
InChIKeyILLDGNUHWUGYGP-UHFFFAOYSA-N
XLogP2.61
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide
CID 4548216
N,N'-bis[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]pentanediamide
CID 3545367
N-[3-[(E)-C-methyl-N-[(3-methylbenzoyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide
CID 5434357
N-[3-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide
CID 7308931
N-[3-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]furan-2-carboxamide
CID 4999715
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
N-[3-[(Z)-N-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 6019561
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
N-[4-(3-acetylanilino)phenyl]furan-2-carboxamide
CID 112988117
N-[4-[N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 3270950
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide
CID 760187
methyl 3-(furan-2-carbonylcarbamoylamino)benzoate
CID 2806361

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]carbamate?
The IUPAC name of methyl N-[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]carbamate (CID 3713909) is methyl N-[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]carbamate.
What is the SMILES notation for methyl N-[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]carbamate?
The canonical SMILES for methyl N-[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]carbamate is COC(=O)NN=C(C)c1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of methyl N-[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]carbamate?
The InChIKey is ILLDGNUHWUGYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-10(17-18-15(20)21-2)11-5-3-6-12(9-11)16-14(19)13-7-4-8-22-13/h3-9H,1-2H3,(H,16,19)(H,18,20).
What are the key properties of methyl N-[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]carbamate?
methyl N-[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]carbamate has a molecular weight of 301.30 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]carbamate is sourced from PubChem (CID 3713909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).